Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.39 |
| ▸ | CYP21A2 | P08686 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28427882 | 0.93 | KDM4E (0.62) | KDM4EALDH1A1NTSR1CYP1A1CYP1A2 | |
| SCHEMBL28410646 | 0.91 | KDM4E (0.52) | KDM4EALDH1A1NTSR1CYP1A1CYP1A2 | |
| SCHEMBL28415130 | 0.90 | KDM4E (0.60) | KDM4EALDH1A1HPGDHSD17B10TOP2A | |
| SCHEMBL28415129 | 0.90 | KDM4E (0.60) | KDM4EALDH1A1HPGDHSD17B10TOP2A | |
| SCHEMBL28412322 | 0.87 | KDM4E (0.58) | KDM4EALDH1A1CYP17A1CYP21A2CYP11B1 | |
| SCHEMBL28412320 | 0.87 | KDM4E (0.58) | KDM4EALDH1A1CYP17A1CYP21A2CYP11B1 | |
| SCHEMBL28417380 | 0.86 | KDM4E (0.57) | KDM4EALDH1A1CYP17A1CYP21A2CYP11B1 | |
| SCHEMBL28418046 | 0.86 | KDM4E (0.57) | KDM4EALDH1A1CYP17A1CYP21A2CYP11B1 | |
| SCHEMBL28418044 | 0.86 | KDM4E (0.57) | KDM4EALDH1A1CYP17A1CYP21A2CYP11B1 | |
| SCHEMBL28417382 | 0.86 | KDM4E (0.57) | KDM4EALDH1A1CYP17A1CYP21A2CYP11B1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111303025-A | N-acetyl fleroxacin propenone derivative and preparation method and application thereof | 郑州工业应用技术学院 | 2020-06-19 | — | — | CN | disclosed |